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The crystal structure of Fe (sub 2) S at 90 GPa based on single-crystal X-ray diffraction techniques

Claire C. Zurkowski, Barbara Lavina, Stella Chariton, Sergey Tkachev, Vitali B. Prakapenka and Andrew J. Campbell
The crystal structure of Fe (sub 2) S at 90 GPa based on single-crystal X-ray diffraction techniques
American Mineralogist (April 2022) 107 (4): 739-743

Abstract

The Fe-S system was explored in a laser-heated diamond-anvil cell at 89(2) GPa and 2380(120) K to better understand the phase stability of Fe (sub 2) S. Upon temperature quenching, crystallites of Fe (sub 2) S were identified, and their structure was investigated using single-crystal X-ray diffraction techniques. At these conditions, Fe (sub 2) S adopts the C23 structure (anti-PbCl (sub 2) , Co (sub 2) P) with space group Pnma (Z=4). This structure consists of columns of corner-sharing, FeS (sub 4) tetrahedra, and columns of edge-sharing FeS (sub 5) square pyramids linked along edges in the b direction. Sulfur is in ninefold coordination with Fe. This study marks the first high-pressure structural solution and refinement of Fe (sub 2) S synthesized in a multigrain Fe+FeS sample at 90 GPa and 2400 K and establishes the stability of C23 Fe (sub 2) S at these conditions. A previous powder diffraction study reports an orthorhombic Fe (sub 2) S phase with a C37, Co (sub 2) Si-like unit cell above 190 GPa. A C23-C37 structural transition is inferred to explain the previously observed unit-cell parameters at higher pressures and temperatures. These results highlight the utility of applying single-crystal X-ray diffraction techniques to high P-T multigrain samples to explore the structural properties of iron-rich phases in Earth and planetary cores.


ISSN: 0003-004X
EISSN: 1945-3027
Coden: AMMIAY
Serial Title: American Mineralogist
Serial Volume: 107
Serial Issue: 4
Title: The crystal structure of Fe (sub 2) S at 90 GPa based on single-crystal X-ray diffraction techniques
Affiliation: University of Chicago, Department of the Geophysical Sciences, Chicago, IL, United States
Pages: 739-743
Published: 20220401
Text Language: English
Publisher: Mineralogical Society of America, Washington, DC, United States
References: 42
Accession Number: 2022-021833
Categories: Geophysics of minerals and rocks
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 1 table
Secondary Affiliation: Argonne National Laboratory, USA, United States
Country of Publication: United States
Secondary Affiliation: GeoRef, Copyright 2022, American Geosciences Institute. Abstract, copyright, Mineralogical Society of America. Reference includes data from GeoScienceWorld, Alexandria, VA, United States
Update Code: 2022
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